4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

C13H9F3N2O2 — CID 106521391

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3c(c2)CCO3)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)11-6-9(17-12(19)18-11)7-1-2-10-8(5-7)3-4-20-10/h1-2,5-6H,3-4H2,(H,17,18,19)
InChIKeyRUSAYJDKXBZUIF-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.39
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 106521391) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID106521391
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3c(c2)CCO3)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)11-6-9(17-12(19)18-11)7-1-2-10-8(5-7)3-4-20-10/h1-2,5-6H,3-4H2,(H,17,18,19)
InChIKeyRUSAYJDKXBZUIF-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
CID 102716482
6-(2,3-dihydro-1-benzofuran-5-yl)-8-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 170503224
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
8-(2,3-dihydro-1-benzofuran-5-yl)-3,7-dihydropurine-2,6-dione
CID 115600454
5-(2,3-dihydro-1-benzofuran-5-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 116861912
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521131
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole
CID 139775453
4-(1-methylpyrrol-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91927049

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 106521391) is 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc3c(c2)CCO3)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is RUSAYJDKXBZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)11-6-9(17-12(19)18-11)7-1-2-10-8(5-7)3-4-20-10/h1-2,5-6H,3-4H2,(H,17,18,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 282.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).